SCHEMBL10601643

SCHEMBL10601643

C=CC(=O)OCCCCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.61
ALDH1A1 P00352 4/20 0.61
CYP3A4 P08684 2/20 0.61
HPGD P15428 1/20 0.56
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 1/20 0.41
HCAR2 Q8TDS4 3/20 0.39
ATM Q13315 1/20 0.38
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 5/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16286606 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4202062 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29737736 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29005318 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16286988 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29737739 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16536830 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1219310 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29737743 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL6927048 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0113367-B1 METHOD FOR PRODUCING CROSS-LINKED RESIN COATINGS ON SUBSTRATES BATTELLE DEVELOPMENT CORPORATION (US) 1989-02-15 EP disclosed
EP-0113367-A1 METHOD FOR PRODUCING CROSS-LINKED RESIN COATINGS ON SUBSTRATES. BATTELLE DEVELOPMENT CORP (US) 1984-07-18 EP disclosed
WO-1984000375-A1 METHOD FOR PRODUCING CROSS-LINKED RESIN COATINGS ON SUBSTRATES BATTELLE DEVELOPMENT CORP (US) 1984-02-02 WO disclosed